Authors:

Carlos Wexler(University of Missouri Department of Physics and Astronomy)

We present and discuss the results of explicit - hydrogen
Molecular Dynamics
computer simulations of tetracosane (C$_{24}$H$_{50})$ bilayers
deposited on
a graphite substrate in the temperature range 100 K $\le \quad T
\le $ 450 K.
Both layers exhibit strong coupling between the internal
molecular degrees
of freedom and bulk behavior but because of the different boundary
conditions between layers, they exhibit distinctly different
dynamics and
phase transition signatures. Structural, thermodynamic and bond -
orientational distributions and parameters are utilized in
understanding the
solid, intermediate and liquid phases presented in and phase
transitions
presented by the system.

*Donors of The American Chemical Society Petroleum Research Fund (PRF43277-B5), University of Missouri Research Board, Department of Energy award number DE-FG02-07ER46411

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.K1.143